(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-3-oxobutanenitrile IUPAC Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-3-keto-butyronitrile Formula: C18H14N6OS2 MolecularWeight: 394.47336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SCC(=O)C(=C3NC4=CC=CC=C4S3)C#N)C

Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SCC(=O)/C(=C\3/NC4=CC=CC=C4S3)/C#N)C

InChI

InChI=1S/C18H14N6OS2/c1-10-7-11(2)24-17(20-10)22-23-18(24)26-9-14(25)12(8-19)16-21-13-5-3-4-6-15(13)27-16/h3-7,21H,9H2,1-2H3/b16-12-